This profile is built from public research funding records (CIHR, NSERC and SSHRC) and PubMed. We have not imported them from a McGill University directory, so their courses and email address may be missing. Find their university profile.
Research
Latest papers
MAPping dynamic heterogeneity in supercooled glass-formers.
The Journal of chemical physics · 2026 · senior author
Disentangling Morphology and Conductance in Amorphous Graphene.
The journal of physical chemistry letters · 2025 · senior author
Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials.
ACS physical chemistry Au · 2025 · senior author
Latest funding
- $164,000
Integrated School on Advanced Materials (ISAM)
NSERC · 2024 · Co-investigator
- $200,000
Molecular level understanding of crystal nucleation and polymorphism by in-situ optical spectroscopy combined with deep learning-assisted simulations
NSERC · 2023 · Principal investigator
- $2,002,365
QuantaMole: Consortium on Quantum molecular technologies
NSERC · 2023 · Co-investigator
16 publications.
MAPping dynamic heterogeneity in supercooled glass-formers.
Madanchi A, Simine L
Disentangling Morphology and Conductance in Amorphous Graphene.
Gastellu N, Madanchi A, Simine L
Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials.
Madanchi A, Azek E, Zongo K, Béland LK, Mousseau N, Simine L
Truncations and in silico docking to enhance the analytical response of aptamer-based biosensors.
Nguyen MD, Osborne MT, Prevot GT, Churcher ZR, Johnson PE, Simine L, Dauphin-Ducharme P
Path-filtering in path-integral simulations of open quantum systems using GFlowNets.
Lackman-Mincoff J, Jain M, Malkin N, Bengio Y, Simine L
DeltaGzip: Computing Biopolymer-Ligand Binding Affinity via Kolmogorov Complexity and Lossless Compression.
Liu T, Simine L
Amodiaquine Nonspecifically Binds Double Stranded and Three-Way Junction DNA Structures.
Slavkovic S, Shoara AA, Kaiyum YA, Churcher ZR, Liu T, Simine L, Johnson PE
Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networks.
Madanchi A, Kilgour M, Zysk F, Kühne TD, Simine L
Solving the Wigner equation for chemically relevant scenarios: Dynamics in 2D.
Wang Y, Simine L
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning.
Moussa S, Kilgour M, Jans C, Hernandez-Garcia A, Cuperlovic-Culf M, Bengio Y, Simine L
Integrated School on Advanced Materials (ISAM)
Principal investigators: Bouilly, Delphine D
Keywords: biochemical sensors; biomaterials; light-interacting materials; magnetism; micro/nanoelectronic devices; nanomaterials; optoelectronics; quantum materials; synthesis & processing; theory & computational
Molecular level understanding of crystal nucleation and polymorphism by in-situ optical spectroscopy combined with deep learning-assisted simulations
Principal investigators: Simine, Lena L
Keywords: computational spectroscopy; crystal nucleation; crystal nucleation mechanism; deep machine learning; disordered systems; generative modeling; molecular dynamics simulations; non-classical nucleation pathways; ramanspectroscopy; single crystal nucleation spectrosco
QuantaMole: Consortium on Quantum molecular technologies
Principal investigators: Kéna-Cohen, Stéphane S
Keywords: automated synthesis; electro-optic devices; fluorescent molecules; nonlinear optical components; nonlinear optical materials; odmr; optical antennas; single-molecule spectroscopy; single photon sources; stable radicals
Aptamer-based Electrochemical Biosensors for the Detection of Anesthetics
Principal investigators: Dauphin Ducharme, Philippe P
Keywords: Anesthetics; Aptamers; Biophysics; Biosensors; Electrochemistry; Oligonucleotides
Replacing a supercontinuum ultrafast fiber laser with tunable outputs in the Visible and NIR and adding a UV source at 375 nm
Principal investigators: Cosa, Gonzalo
Theory of soft and disordered excitonic nano-materials.
Principal investigators: Simine, Lena
Keywords: excitonics; multi-scale modelling; machine learning; quantum dynamics; many-body effects; pi-conjugated polymers; nanomaterials; organic electronics; protein-based sensors; design of chromophores
Theory of soft and disordered excitonic nano-materials.
Principal investigators: Simine, Lena
From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.
Frequent collaborators
- Lena Simine and Yoshua Bengio: 3 shared papers
- Miroslava Cuperlovic-Culf and Lena Simine: 1 shared paper
- Miroslava Cuperlovic-Culf and Yoshua Bengio: 1 shared paper
- Philippe Dauphin Ducharme and Lena Simine: 1 shared paper
- Chemistry
- Informatique et recherche opérationnelle
- Biochemistry, Microbiology & Immunology
- Chimie
Co-authors at McGill University, colored by department. Thicker lines mean more shared papers; select anyone to open their profile and their own map.
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